2,4-dimethoxy-3-methyl-5-nitroaniline

C9H12N2O4 — CID 974774

IUPAC2,4-dimethoxy-3-methyl-5-nitroaniline
SMILESCOc1c(N)cc([N+](=O)[O-])c(OC)c1C
InChIInChI=1S/C9H12N2O4/c1-5-8(14-2)6(10)4-7(11(12)13)9(5)15-3/h4H,10H2,1-3H3
InChIKeyLXVCBARZMZHCJB-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.50
Rot. Bonds3

About 2,4-dimethoxy-3-methyl-5-nitroaniline

2,4-dimethoxy-3-methyl-5-nitroaniline (PubChem CID 974774) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methyl-5-nitroaniline.

Molecular Properties

Compound Name2,4-dimethoxy-3-methyl-5-nitroaniline
PubChem CID974774
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2,4-dimethoxy-3-methyl-5-nitroaniline
SMILESCOc1c(N)cc([N+](=O)[O-])c(OC)c1C
InChIInChI=1S/C9H12N2O4/c1-5-8(14-2)6(10)4-7(11(12)13)9(5)15-3/h4H,10H2,1-3H3
InChIKeyLXVCBARZMZHCJB-UHFFFAOYSA-N
XLogP1.50
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-2-methoxy-5-nitroaniline
CID 118913135
5-bromo-3-chloro-2-methoxy-4-methylaniline;4-bromo-2-chloro-3-methyl-6-nitrophenol
CID 167655340
2-methoxy-1,3,4-trimethyl-5-nitrobenzene
CID 22408512
ethane;2-methoxy-4-methyl-5-nitroaniline
CID 145393912
3-tert-butyl-2-methoxy-6-methyl-5-nitroaniline
CID 100936248
2-methoxy-1,4-bis(methoxymethoxy)-3-methyl-5-nitrobenzene
CID 14137884
1-(5-amino-2-methoxy-3-nitrophenyl)ethanone
CID 131574213
2-methoxy-4-(3-methoxy-2,4,6-trinitrophenyl)-1,3,5-trinitrobenzene
CID 14927168
1-bromo-2-methoxy-5-methyl-3-nitrobenzene;ethane
CID 166130552
4-methyl-3,5-dinitroaniline
CID 29574
5-(2,4-dimethoxy-3-methyl-5-nitrophenyl)furan-2-carbaldehyde
CID 169332956
3,5-difluoro-2-methoxy-4-nitroaniline
CID 138109611

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methyl-5-nitroaniline?
The IUPAC name of 2,4-dimethoxy-3-methyl-5-nitroaniline (CID 974774) is 2,4-dimethoxy-3-methyl-5-nitroaniline.
What is the SMILES notation for 2,4-dimethoxy-3-methyl-5-nitroaniline?
The canonical SMILES for 2,4-dimethoxy-3-methyl-5-nitroaniline is COc1c(N)cc([N+](=O)[O-])c(OC)c1C.
What is the InChIKey of 2,4-dimethoxy-3-methyl-5-nitroaniline?
The InChIKey is LXVCBARZMZHCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-8(14-2)6(10)4-7(11(12)13)9(5)15-3/h4H,10H2,1-3H3.
What are the key properties of 2,4-dimethoxy-3-methyl-5-nitroaniline?
2,4-dimethoxy-3-methyl-5-nitroaniline has a molecular weight of 212.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methyl-5-nitroaniline is sourced from PubChem (CID 974774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).